USER MOD reduce.3.24.130724 H: found=0, std=0, add=307, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 307 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 147:sc= -0.376 (180deg=-1.3!) USER MOD Single : A 122 LYS NZ :NH3+ -115:sc= 0.187 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc=-0.00765 K(o=-0.0076,f=-1.4) USER MOD Single : A 130 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.343) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 MET CE :methyl 162:sc= -0.0273 (180deg=-0.315) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 108 -3.596 -1.208 -2.382 1.00 0.00 N ATOM 2 CA VAL A 108 -2.771 -1.755 -1.322 1.00 0.00 C ATOM 3 C VAL A 108 -1.285 -1.746 -1.702 1.00 0.00 C ATOM 4 O VAL A 108 -0.499 -0.985 -1.138 1.00 0.00 O ATOM 5 CB VAL A 108 -3.242 -3.193 -1.019 1.00 0.00 C ATOM 6 CG1 VAL A 108 -2.125 -4.048 -0.433 1.00 0.00 C ATOM 7 CG2 VAL A 108 -4.441 -3.168 -0.086 1.00 0.00 C ATOM 0 HA VAL A 108 -2.879 -1.132 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.536 -3.649 -1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.501 -5.052 -0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.299 -4.103 -1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.775 -3.602 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.763 -4.189 0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.165 -2.679 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.256 -2.618 -0.556 1.00 0.00 H new ATOM 17 N ILE A 109 -0.908 -2.597 -2.654 1.00 0.00 N ATOM 18 CA ILE A 109 0.484 -2.683 -3.096 1.00 0.00 C ATOM 19 C ILE A 109 1.006 -1.344 -3.553 1.00 0.00 C ATOM 20 O ILE A 109 1.854 -0.718 -2.917 1.00 0.00 O ATOM 21 CB ILE A 109 0.657 -3.703 -4.247 1.00 0.00 C ATOM 22 CG1 ILE A 109 -0.048 -5.017 -3.917 1.00 0.00 C ATOM 23 CG2 ILE A 109 2.134 -3.946 -4.520 1.00 0.00 C ATOM 24 CD1 ILE A 109 0.244 -5.520 -2.526 1.00 0.00 C ATOM 0 H ILE A 109 -1.543 -3.235 -3.133 1.00 0.00 H new ATOM 0 HA ILE A 109 1.057 -3.017 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 109 0.200 -3.288 -5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.124 -4.881 -4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.254 -5.774 -4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 109 2.240 -4.665 -5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 109 2.611 -3.007 -4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 109 2.610 -4.339 -3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.288 -6.456 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.316 -5.687 -2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.084 -4.780 -1.795 1.00 0.00 H new ATOM 36 N CYS A 110 0.484 -0.941 -4.667 1.00 0.00 N ATOM 37 CA CYS A 110 0.850 0.321 -5.300 1.00 0.00 C ATOM 38 C CYS A 110 -0.119 0.663 -6.432 1.00 0.00 C ATOM 39 O CYS A 110 -0.483 -0.201 -7.230 1.00 0.00 O ATOM 40 CB CYS A 110 2.281 0.242 -5.834 1.00 0.00 C ATOM 41 SG CYS A 110 3.398 1.528 -5.180 1.00 0.00 S ATOM 0 H CYS A 110 -0.218 -1.473 -5.182 1.00 0.00 H new ATOM 0 HA CYS A 110 0.792 1.112 -4.552 1.00 0.00 H new ATOM 0 HB2 CYS A 110 2.693 -0.738 -5.592 1.00 0.00 H new ATOM 0 HB3 CYS A 110 2.256 0.318 -6.921 1.00 0.00 H new ATOM 46 N ARG A 111 -0.538 1.924 -6.488 1.00 0.00 N ATOM 47 CA ARG A 111 -1.475 2.376 -7.513 1.00 0.00 C ATOM 48 C ARG A 111 -0.755 3.036 -8.690 1.00 0.00 C ATOM 49 O ARG A 111 -1.288 3.089 -9.799 1.00 0.00 O ATOM 50 CB ARG A 111 -2.481 3.357 -6.907 1.00 0.00 C ATOM 51 CG ARG A 111 -3.918 3.095 -7.330 1.00 0.00 C ATOM 52 CD ARG A 111 -4.698 4.392 -7.483 1.00 0.00 C ATOM 53 NE ARG A 111 -4.276 5.150 -8.658 1.00 0.00 N ATOM 54 CZ ARG A 111 -4.514 4.770 -9.911 1.00 0.00 C ATOM 55 NH1 ARG A 111 -5.171 3.643 -10.156 1.00 0.00 N ATOM 56 NH2 ARG A 111 -4.095 5.518 -10.922 1.00 0.00 N ATOM 0 H ARG A 111 -0.244 2.651 -5.836 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.999 1.498 -7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -2.416 3.306 -5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -2.205 4.371 -7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -3.927 2.550 -8.274 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.406 2.460 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -5.762 4.168 -7.559 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -4.564 5.003 -6.590 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.769 6.022 -8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -5.496 3.064 -9.382 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -5.351 3.356 -11.118 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.590 6.385 -10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -4.278 5.226 -11.882 1.00 0.00 H new ATOM 70 N GLU A 112 0.450 3.543 -8.448 1.00 0.00 N ATOM 71 CA GLU A 112 1.223 4.200 -9.497 1.00 0.00 C ATOM 72 C GLU A 112 2.635 3.631 -9.575 1.00 0.00 C ATOM 73 O GLU A 112 3.620 4.363 -9.488 1.00 0.00 O ATOM 74 CB GLU A 112 1.277 5.709 -9.249 1.00 0.00 C ATOM 75 CG GLU A 112 1.650 6.081 -7.823 1.00 0.00 C ATOM 76 CD GLU A 112 1.958 7.557 -7.669 1.00 0.00 C ATOM 77 OE1 GLU A 112 2.295 8.203 -8.684 1.00 0.00 O ATOM 78 OE2 GLU A 112 1.862 8.068 -6.534 1.00 0.00 O ATOM 0 H GLU A 112 0.911 3.512 -7.539 1.00 0.00 H new ATOM 0 HA GLU A 112 0.727 4.013 -10.450 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.000 6.155 -9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.305 6.142 -9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.831 5.813 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.518 5.498 -7.514 1.00 0.00 H new ATOM 85 N CYS A 113 2.723 2.316 -9.736 1.00 0.00 N ATOM 86 CA CYS A 113 4.009 1.639 -9.821 1.00 0.00 C ATOM 87 C CYS A 113 4.118 0.836 -11.115 1.00 0.00 C ATOM 88 O CYS A 113 5.074 0.991 -11.876 1.00 0.00 O ATOM 89 CB CYS A 113 4.181 0.720 -8.617 1.00 0.00 C ATOM 90 SG CYS A 113 5.863 0.690 -7.921 1.00 0.00 S ATOM 0 H CYS A 113 1.916 1.697 -9.810 1.00 0.00 H new ATOM 0 HA CYS A 113 4.799 2.389 -9.822 1.00 0.00 H new ATOM 0 HB2 CYS A 113 3.485 1.030 -7.838 1.00 0.00 H new ATOM 0 HB3 CYS A 113 3.904 -0.293 -8.907 1.00 0.00 H new ATOM 95 N GLY A 114 3.132 -0.023 -11.359 1.00 0.00 N ATOM 96 CA GLY A 114 3.136 -0.836 -12.562 1.00 0.00 C ATOM 97 C GLY A 114 3.657 -2.238 -12.314 1.00 0.00 C ATOM 98 O GLY A 114 4.663 -2.644 -12.896 1.00 0.00 O ATOM 0 H GLY A 114 2.331 -0.170 -10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.123 -0.894 -12.961 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.751 -0.353 -13.321 1.00 0.00 H new ATOM 102 N LYS A 115 2.973 -2.980 -11.449 1.00 0.00 N ATOM 103 CA LYS A 115 3.373 -4.346 -11.123 1.00 0.00 C ATOM 104 C LYS A 115 4.831 -4.391 -10.668 1.00 0.00 C ATOM 105 O LYS A 115 5.716 -4.799 -11.419 1.00 0.00 O ATOM 106 CB LYS A 115 3.168 -5.262 -12.332 1.00 0.00 C ATOM 107 CG LYS A 115 2.569 -6.612 -11.973 1.00 0.00 C ATOM 108 CD LYS A 115 2.718 -7.609 -13.111 1.00 0.00 C ATOM 109 CE LYS A 115 1.480 -7.639 -13.990 1.00 0.00 C ATOM 110 NZ LYS A 115 1.804 -8.013 -15.395 1.00 0.00 N ATOM 0 H LYS A 115 2.138 -2.658 -10.960 1.00 0.00 H new ATOM 0 HA LYS A 115 2.747 -4.698 -10.303 1.00 0.00 H new ATOM 0 HB2 LYS A 115 2.517 -4.763 -13.050 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.127 -5.418 -12.827 1.00 0.00 H new ATOM 0 HG2 LYS A 115 3.058 -7.002 -11.080 1.00 0.00 H new ATOM 0 HG3 LYS A 115 1.513 -6.490 -11.731 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.587 -7.347 -13.714 1.00 0.00 H new ATOM 0 HD3 LYS A 115 2.900 -8.603 -12.703 1.00 0.00 H new ATOM 0 HE2 LYS A 115 0.762 -8.350 -13.582 1.00 0.00 H new ATOM 0 HE3 LYS A 115 1.001 -6.660 -13.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 0.932 -8.022 -15.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 2.469 -7.320 -15.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 2.237 -8.958 -15.412 1.00 0.00 H new ATOM 124 N PRO A 116 5.097 -3.965 -9.422 1.00 0.00 N ATOM 125 CA PRO A 116 6.426 -3.940 -8.847 1.00 0.00 C ATOM 126 C PRO A 116 6.664 -5.143 -7.935 1.00 0.00 C ATOM 127 O PRO A 116 6.143 -6.230 -8.185 1.00 0.00 O ATOM 128 CB PRO A 116 6.363 -2.638 -8.049 1.00 0.00 C ATOM 129 CG PRO A 116 4.951 -2.574 -7.547 1.00 0.00 C ATOM 130 CD PRO A 116 4.119 -3.457 -8.452 1.00 0.00 C ATOM 0 HA PRO A 116 7.236 -3.988 -9.575 1.00 0.00 H new ATOM 0 HB2 PRO A 116 7.077 -2.642 -7.226 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.602 -1.777 -8.674 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.893 -2.917 -6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 116 4.582 -1.548 -7.563 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.644 -4.267 -7.898 1.00 0.00 H new ATOM 0 HD3 PRO A 116 3.323 -2.895 -8.940 1.00 0.00 H new ATOM 138 N ASP A 117 7.435 -4.945 -6.872 1.00 0.00 N ATOM 139 CA ASP A 117 7.713 -6.018 -5.922 1.00 0.00 C ATOM 140 C ASP A 117 7.437 -5.541 -4.505 1.00 0.00 C ATOM 141 O ASP A 117 7.550 -4.345 -4.223 1.00 0.00 O ATOM 142 CB ASP A 117 9.167 -6.477 -6.037 1.00 0.00 C ATOM 143 CG ASP A 117 9.305 -7.775 -6.808 1.00 0.00 C ATOM 144 OD1 ASP A 117 8.365 -8.128 -7.551 1.00 0.00 O ATOM 145 OD2 ASP A 117 10.355 -8.437 -6.670 1.00 0.00 O ATOM 0 H ASP A 117 7.878 -4.055 -6.646 1.00 0.00 H new ATOM 0 HA ASP A 117 7.061 -6.860 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.752 -5.701 -6.530 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.585 -6.605 -5.038 1.00 0.00 H new ATOM 150 N THR A 118 7.083 -6.453 -3.609 1.00 0.00 N ATOM 151 CA THR A 118 6.809 -6.063 -2.233 1.00 0.00 C ATOM 152 C THR A 118 7.735 -6.777 -1.254 1.00 0.00 C ATOM 153 O THR A 118 7.889 -7.998 -1.296 1.00 0.00 O ATOM 154 CB THR A 118 5.353 -6.384 -1.895 1.00 0.00 C ATOM 155 OG1 THR A 118 4.542 -6.316 -3.054 1.00 0.00 O ATOM 156 CG2 THR A 118 4.757 -5.453 -0.862 1.00 0.00 C ATOM 0 H THR A 118 6.980 -7.449 -3.804 1.00 0.00 H new ATOM 0 HA THR A 118 6.987 -4.992 -2.140 1.00 0.00 H new ATOM 0 HB THR A 118 5.369 -7.393 -1.483 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.615 -6.526 -2.817 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.723 -5.738 -0.669 1.00 0.00 H new ATOM 0 HG22 THR A 118 5.330 -5.521 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 118 4.788 -4.429 -1.234 1.00 0.00 H new ATOM 164 N LYS A 119 8.315 -5.998 -0.347 1.00 0.00 N ATOM 165 CA LYS A 119 9.215 -6.525 0.672 1.00 0.00 C ATOM 166 C LYS A 119 8.838 -5.943 2.031 1.00 0.00 C ATOM 167 O LYS A 119 8.620 -4.738 2.153 1.00 0.00 O ATOM 168 CB LYS A 119 10.645 -6.102 0.335 1.00 0.00 C ATOM 169 CG LYS A 119 11.275 -6.918 -0.782 1.00 0.00 C ATOM 170 CD LYS A 119 12.546 -6.264 -1.298 1.00 0.00 C ATOM 171 CE LYS A 119 13.749 -6.636 -0.447 1.00 0.00 C ATOM 172 NZ LYS A 119 13.864 -8.109 -0.262 1.00 0.00 N ATOM 0 H LYS A 119 8.175 -4.989 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 119 9.139 -7.612 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.646 -5.050 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.261 -6.190 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.502 -7.920 -0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.563 -7.028 -1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.720 -6.569 -2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.423 -5.181 -1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 119 14.657 -6.257 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.668 -6.153 0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 14.868 -8.374 -0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.381 -8.387 0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.424 -8.596 -1.069 1.00 0.00 H new ATOM 186 N ILE A 120 8.836 -6.774 3.067 1.00 0.00 N ATOM 187 CA ILE A 120 8.532 -6.292 4.409 1.00 0.00 C ATOM 188 C ILE A 120 9.618 -6.712 5.397 1.00 0.00 C ATOM 189 O ILE A 120 10.024 -7.873 5.436 1.00 0.00 O ATOM 190 CB ILE A 120 7.182 -6.873 4.876 1.00 0.00 C ATOM 191 CG1 ILE A 120 6.814 -6.329 6.258 1.00 0.00 C ATOM 192 CG2 ILE A 120 7.234 -8.394 4.894 1.00 0.00 C ATOM 193 CD1 ILE A 120 5.484 -6.837 6.773 1.00 0.00 C ATOM 0 H ILE A 120 9.039 -7.772 3.006 1.00 0.00 H new ATOM 0 HA ILE A 120 8.483 -5.204 4.376 1.00 0.00 H new ATOM 0 HB ILE A 120 6.411 -6.565 4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 120 7.597 -6.600 6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 120 6.786 -5.240 6.215 1.00 0.00 H new ATOM 0 HG21 ILE A 120 6.273 -8.787 5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 120 7.450 -8.763 3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 120 8.016 -8.723 5.578 1.00 0.00 H new ATOM 0 HD11 ILE A 120 5.288 -6.411 7.757 1.00 0.00 H new ATOM 0 HD12 ILE A 120 4.691 -6.543 6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 120 5.514 -7.924 6.848 1.00 0.00 H new ATOM 205 N ILE A 121 10.020 -5.775 6.250 1.00 0.00 N ATOM 206 CA ILE A 121 11.020 -6.047 7.277 1.00 0.00 C ATOM 207 C ILE A 121 10.520 -5.559 8.629 1.00 0.00 C ATOM 208 O ILE A 121 10.029 -4.437 8.751 1.00 0.00 O ATOM 209 CB ILE A 121 12.329 -5.307 6.943 1.00 0.00 C ATOM 210 CG1 ILE A 121 13.343 -5.458 8.082 1.00 0.00 C ATOM 211 CG2 ILE A 121 12.055 -3.838 6.660 1.00 0.00 C ATOM 212 CD1 ILE A 121 13.698 -6.897 8.390 1.00 0.00 C ATOM 0 H ILE A 121 9.667 -4.818 6.250 1.00 0.00 H new ATOM 0 HA ILE A 121 11.199 -7.122 7.312 1.00 0.00 H new ATOM 0 HB ILE A 121 12.756 -5.755 6.046 1.00 0.00 H new ATOM 0 HG12 ILE A 121 14.252 -4.916 7.822 1.00 0.00 H new ATOM 0 HG13 ILE A 121 12.940 -4.992 8.981 1.00 0.00 H new ATOM 0 HG21 ILE A 121 12.992 -3.332 6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 121 11.374 -3.751 5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 121 11.603 -3.377 7.538 1.00 0.00 H new ATOM 0 HD11 ILE A 121 14.420 -6.927 9.206 1.00 0.00 H new ATOM 0 HD12 ILE A 121 12.798 -7.439 8.681 1.00 0.00 H new ATOM 0 HD13 ILE A 121 14.132 -7.362 7.505 1.00 0.00 H new ATOM 224 N LYS A 122 10.731 -6.362 9.659 1.00 0.00 N ATOM 225 CA LYS A 122 10.339 -5.972 11.009 1.00 0.00 C ATOM 226 C LYS A 122 11.512 -6.114 11.974 1.00 0.00 C ATOM 227 O LYS A 122 12.199 -7.135 11.989 1.00 0.00 O ATOM 228 CB LYS A 122 9.190 -6.876 11.464 1.00 0.00 C ATOM 229 CG LYS A 122 8.802 -6.691 12.923 1.00 0.00 C ATOM 230 CD LYS A 122 9.655 -7.554 13.842 1.00 0.00 C ATOM 231 CE LYS A 122 8.841 -8.669 14.479 1.00 0.00 C ATOM 232 NZ LYS A 122 8.638 -8.447 15.937 1.00 0.00 N ATOM 0 H LYS A 122 11.168 -7.281 9.591 1.00 0.00 H new ATOM 0 HA LYS A 122 10.024 -4.929 11.004 1.00 0.00 H new ATOM 0 HB2 LYS A 122 8.318 -6.682 10.839 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.473 -7.916 11.302 1.00 0.00 H new ATOM 0 HG2 LYS A 122 8.914 -5.643 13.200 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.751 -6.946 13.056 1.00 0.00 H new ATOM 0 HD2 LYS A 122 10.481 -7.984 13.275 1.00 0.00 H new ATOM 0 HD3 LYS A 122 10.094 -6.932 14.622 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.872 -8.739 13.984 1.00 0.00 H new ATOM 0 HE3 LYS A 122 9.347 -9.622 14.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 9.122 -9.195 16.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 9.029 -7.521 16.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.621 -8.469 16.153 1.00 0.00 H new ATOM 246 N GLU A 123 11.686 -5.114 12.833 1.00 0.00 N ATOM 247 CA GLU A 123 12.745 -5.145 13.842 1.00 0.00 C ATOM 248 C GLU A 123 12.150 -4.804 15.200 1.00 0.00 C ATOM 249 O GLU A 123 11.391 -3.842 15.313 1.00 0.00 O ATOM 250 CB GLU A 123 13.803 -4.102 13.481 1.00 0.00 C ATOM 251 CG GLU A 123 14.800 -4.582 12.441 1.00 0.00 C ATOM 252 CD GLU A 123 16.019 -3.685 12.345 1.00 0.00 C ATOM 253 OE1 GLU A 123 15.849 -2.448 12.383 1.00 0.00 O ATOM 254 OE2 GLU A 123 17.142 -4.219 12.234 1.00 0.00 O ATOM 0 H GLU A 123 11.110 -4.273 12.852 1.00 0.00 H new ATOM 0 HA GLU A 123 13.197 -6.136 13.877 1.00 0.00 H new ATOM 0 HB2 GLU A 123 13.306 -3.206 13.109 1.00 0.00 H new ATOM 0 HB3 GLU A 123 14.342 -3.816 14.384 1.00 0.00 H new ATOM 0 HG2 GLU A 123 15.117 -5.595 12.688 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.311 -4.629 11.468 1.00 0.00 H new ATOM 261 N GLY A 124 12.529 -5.526 16.242 1.00 0.00 N ATOM 262 CA GLY A 124 12.013 -5.215 17.569 1.00 0.00 C ATOM 263 C GLY A 124 10.489 -5.259 17.640 1.00 0.00 C ATOM 264 O GLY A 124 9.904 -6.336 17.752 1.00 0.00 O ATOM 0 H GLY A 124 13.176 -6.313 16.201 1.00 0.00 H new ATOM 0 HA2 GLY A 124 12.426 -5.922 18.288 1.00 0.00 H new ATOM 0 HA3 GLY A 124 12.357 -4.223 17.864 1.00 0.00 H new ATOM 268 N ARG A 125 9.845 -4.087 17.586 1.00 0.00 N ATOM 269 CA ARG A 125 8.379 -4.010 17.657 1.00 0.00 C ATOM 270 C ARG A 125 7.819 -2.950 16.700 1.00 0.00 C ATOM 271 O ARG A 125 6.821 -2.293 16.994 1.00 0.00 O ATOM 272 CB ARG A 125 7.937 -3.699 19.089 1.00 0.00 C ATOM 273 CG ARG A 125 7.948 -4.911 20.005 1.00 0.00 C ATOM 274 CD ARG A 125 6.755 -5.817 19.743 1.00 0.00 C ATOM 275 NE ARG A 125 6.365 -6.567 20.934 1.00 0.00 N ATOM 276 CZ ARG A 125 5.221 -7.239 21.046 1.00 0.00 C ATOM 277 NH1 ARG A 125 4.355 -7.257 20.040 1.00 0.00 N ATOM 278 NH2 ARG A 125 4.943 -7.893 22.164 1.00 0.00 N ATOM 0 H ARG A 125 10.311 -3.184 17.494 1.00 0.00 H new ATOM 0 HA ARG A 125 7.983 -4.979 17.354 1.00 0.00 H new ATOM 0 HB2 ARG A 125 8.592 -2.934 19.505 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.931 -3.280 19.067 1.00 0.00 H new ATOM 0 HG2 ARG A 125 8.871 -5.471 19.858 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.936 -4.583 21.044 1.00 0.00 H new ATOM 0 HD2 ARG A 125 5.912 -5.217 19.401 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.998 -6.513 18.940 1.00 0.00 H new ATOM 0 HE ARG A 125 7.007 -6.577 21.727 1.00 0.00 H new ATOM 0 HH11 ARG A 125 4.565 -6.755 19.177 1.00 0.00 H new ATOM 0 HH12 ARG A 125 3.480 -7.773 20.130 1.00 0.00 H new ATOM 0 HH21 ARG A 125 5.605 -7.882 22.940 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.066 -8.408 22.249 1.00 0.00 H new ATOM 292 N VAL A 126 8.478 -2.798 15.562 1.00 0.00 N ATOM 293 CA VAL A 126 8.101 -1.851 14.543 1.00 0.00 C ATOM 294 C VAL A 126 8.133 -2.552 13.194 1.00 0.00 C ATOM 295 O VAL A 126 9.086 -3.261 12.860 1.00 0.00 O ATOM 296 CB VAL A 126 9.110 -0.685 14.506 1.00 0.00 C ATOM 297 CG1 VAL A 126 8.892 0.248 15.686 1.00 0.00 C ATOM 298 CG2 VAL A 126 10.537 -1.209 14.487 1.00 0.00 C ATOM 0 H VAL A 126 9.306 -3.344 15.323 1.00 0.00 H new ATOM 0 HA VAL A 126 7.105 -1.466 14.760 1.00 0.00 H new ATOM 0 HB VAL A 126 8.946 -0.119 13.589 1.00 0.00 H new ATOM 0 HG11 VAL A 126 9.613 1.064 15.643 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.881 0.654 15.647 1.00 0.00 H new ATOM 0 HG13 VAL A 126 9.025 -0.305 16.616 1.00 0.00 H new ATOM 0 HG21 VAL A 126 11.232 -0.370 14.461 1.00 0.00 H new ATOM 0 HG22 VAL A 126 10.718 -1.803 15.383 1.00 0.00 H new ATOM 0 HG23 VAL A 126 10.685 -1.830 13.604 1.00 0.00 H new ATOM 308 N HIS A 127 7.121 -2.280 12.401 1.00 0.00 N ATOM 309 CA HIS A 127 7.011 -2.839 11.057 1.00 0.00 C ATOM 310 C HIS A 127 7.234 -1.753 10.007 1.00 0.00 C ATOM 311 O HIS A 127 6.674 -0.663 10.094 1.00 0.00 O ATOM 312 CB HIS A 127 5.608 -3.428 10.888 1.00 0.00 C ATOM 313 CG HIS A 127 5.102 -4.134 12.109 1.00 0.00 C ATOM 314 ND1 HIS A 127 5.851 -5.055 12.808 1.00 0.00 N ATOM 315 CD2 HIS A 127 3.918 -4.044 12.760 1.00 0.00 C ATOM 316 CE1 HIS A 127 5.151 -5.503 13.834 1.00 0.00 C ATOM 317 NE2 HIS A 127 3.975 -4.904 13.828 1.00 0.00 N ATOM 0 H HIS A 127 6.348 -1.667 12.662 1.00 0.00 H new ATOM 0 HA HIS A 127 7.768 -3.612 10.923 1.00 0.00 H new ATOM 0 HB2 HIS A 127 4.916 -2.627 10.629 1.00 0.00 H new ATOM 0 HB3 HIS A 127 5.615 -4.127 10.051 1.00 0.00 H new ATOM 0 HD2 HIS A 127 3.084 -3.413 12.489 1.00 0.00 H new ATOM 0 HE1 HIS A 127 5.484 -6.235 14.555 1.00 0.00 H new ATOM 0 HE2 HIS A 127 3.229 -5.056 14.507 1.00 0.00 H new ATOM 325 N LEU A 128 7.992 -2.097 8.972 1.00 0.00 N ATOM 326 CA LEU A 128 8.261 -1.201 7.875 1.00 0.00 C ATOM 327 C LEU A 128 7.965 -1.922 6.571 1.00 0.00 C ATOM 328 O LEU A 128 8.374 -3.067 6.368 1.00 0.00 O ATOM 329 CB LEU A 128 9.737 -0.799 7.912 1.00 0.00 C ATOM 330 CG LEU A 128 10.052 0.431 8.766 1.00 0.00 C ATOM 331 CD1 LEU A 128 11.347 0.228 9.539 1.00 0.00 C ATOM 332 CD2 LEU A 128 10.138 1.676 7.897 1.00 0.00 C ATOM 0 H LEU A 128 8.435 -3.011 8.878 1.00 0.00 H new ATOM 0 HA LEU A 128 7.638 -0.310 7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 128 10.318 -1.641 8.287 1.00 0.00 H new ATOM 0 HB3 LEU A 128 10.072 -0.610 6.892 1.00 0.00 H new ATOM 0 HG LEU A 128 9.243 0.568 9.483 1.00 0.00 H new ATOM 0 HD11 LEU A 128 11.554 1.113 10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 128 11.249 -0.639 10.192 1.00 0.00 H new ATOM 0 HD13 LEU A 128 12.167 0.065 8.839 1.00 0.00 H new ATOM 0 HD21 LEU A 128 10.363 2.541 8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 128 10.927 1.549 7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.186 1.832 7.390 1.00 0.00 H new ATOM 344 N LEU A 129 7.328 -1.215 5.667 1.00 0.00 N ATOM 345 CA LEU A 129 7.017 -1.741 4.362 1.00 0.00 C ATOM 346 C LEU A 129 7.818 -0.984 3.320 1.00 0.00 C ATOM 347 O LEU A 129 7.879 0.245 3.325 1.00 0.00 O ATOM 348 CB LEU A 129 5.519 -1.572 4.100 1.00 0.00 C ATOM 349 CG LEU A 129 4.691 -2.851 4.230 1.00 0.00 C ATOM 350 CD1 LEU A 129 5.090 -3.856 3.159 1.00 0.00 C ATOM 351 CD2 LEU A 129 4.858 -3.454 5.617 1.00 0.00 C ATOM 0 H LEU A 129 7.011 -0.257 5.818 1.00 0.00 H new ATOM 0 HA LEU A 129 7.272 -2.799 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 129 5.125 -0.830 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 129 5.384 -1.171 3.096 1.00 0.00 H new ATOM 0 HG LEU A 129 3.640 -2.598 4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 129 4.491 -4.760 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 129 4.920 -3.424 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 129 6.145 -4.105 3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 129 4.262 -4.364 5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 129 5.908 -3.693 5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 129 4.524 -2.738 6.368 1.00 0.00 H new ATOM 363 N LYS A 130 8.363 -1.729 2.396 1.00 0.00 N ATOM 364 CA LYS A 130 9.133 -1.182 1.307 1.00 0.00 C ATOM 365 C LYS A 130 8.635 -1.759 -0.005 1.00 0.00 C ATOM 366 O LYS A 130 8.440 -2.967 -0.141 1.00 0.00 O ATOM 367 CB LYS A 130 10.604 -1.556 1.499 1.00 0.00 C ATOM 368 CG LYS A 130 11.173 -1.117 2.839 1.00 0.00 C ATOM 369 CD LYS A 130 12.613 -0.645 2.706 1.00 0.00 C ATOM 370 CE LYS A 130 13.527 -1.768 2.239 1.00 0.00 C ATOM 371 NZ LYS A 130 13.876 -1.637 0.797 1.00 0.00 N ATOM 0 H LYS A 130 8.285 -2.746 2.377 1.00 0.00 H new ATOM 0 HA LYS A 130 9.026 -0.097 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 130 10.711 -2.637 1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 130 11.192 -1.106 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 130 10.562 -0.313 3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 130 11.125 -1.946 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 130 12.662 0.183 1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 130 12.963 -0.265 3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 130 14.440 -1.765 2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 130 13.039 -2.728 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 14.745 -2.174 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 13.098 -2.011 0.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 14.029 -0.634 0.567 1.00 0.00 H new ATOM 385 N CYS A 131 8.530 -0.897 -0.988 1.00 0.00 N ATOM 386 CA CYS A 131 8.136 -1.282 -2.317 1.00 0.00 C ATOM 387 C CYS A 131 9.276 -0.947 -3.244 1.00 0.00 C ATOM 388 O CYS A 131 9.834 0.160 -3.185 1.00 0.00 O ATOM 389 CB CYS A 131 6.890 -0.494 -2.728 1.00 0.00 C ATOM 390 SG CYS A 131 6.297 -0.863 -4.415 1.00 0.00 S ATOM 0 H CYS A 131 8.718 0.100 -0.884 1.00 0.00 H new ATOM 0 HA CYS A 131 7.907 -2.347 -2.360 1.00 0.00 H new ATOM 0 HB2 CYS A 131 6.090 -0.705 -2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 131 7.107 0.572 -2.656 1.00 0.00 H new ATOM 395 N MET A 132 9.573 -1.867 -4.146 1.00 0.00 N ATOM 396 CA MET A 132 10.620 -1.644 -5.106 1.00 0.00 C ATOM 397 C MET A 132 10.018 -1.438 -6.478 1.00 0.00 C ATOM 398 O MET A 132 9.185 -2.220 -6.945 1.00 0.00 O ATOM 399 CB MET A 132 11.574 -2.841 -5.124 1.00 0.00 C ATOM 400 CG MET A 132 12.900 -2.570 -4.431 1.00 0.00 C ATOM 401 SD MET A 132 13.521 -4.005 -3.534 1.00 0.00 S ATOM 402 CE MET A 132 14.930 -3.292 -2.689 1.00 0.00 C ATOM 0 H MET A 132 9.102 -2.768 -4.227 1.00 0.00 H new ATOM 0 HA MET A 132 11.180 -0.752 -4.826 1.00 0.00 H new ATOM 0 HB2 MET A 132 11.088 -3.690 -4.643 1.00 0.00 H new ATOM 0 HB3 MET A 132 11.765 -3.128 -6.158 1.00 0.00 H new ATOM 0 HG2 MET A 132 13.637 -2.263 -5.173 1.00 0.00 H new ATOM 0 HG3 MET A 132 12.780 -1.737 -3.738 1.00 0.00 H new ATOM 0 HE1 MET A 132 15.421 -4.059 -2.090 1.00 0.00 H new ATOM 0 HE2 MET A 132 15.634 -2.899 -3.423 1.00 0.00 H new ATOM 0 HE3 MET A 132 14.594 -2.484 -2.039 1.00 0.00 H new ATOM 412 N ALA A 133 10.486 -0.366 -7.093 1.00 0.00 N ATOM 413 CA ALA A 133 10.070 0.075 -8.426 1.00 0.00 C ATOM 414 C ALA A 133 9.847 1.576 -8.375 1.00 0.00 C ATOM 415 O ALA A 133 10.196 2.313 -9.297 1.00 0.00 O ATOM 416 CB ALA A 133 8.805 -0.633 -8.899 1.00 0.00 C ATOM 0 H ALA A 133 11.187 0.244 -6.672 1.00 0.00 H new ATOM 0 HA ALA A 133 10.852 -0.177 -9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 133 8.536 -0.273 -9.892 1.00 0.00 H new ATOM 0 HB2 ALA A 133 8.983 -1.708 -8.939 1.00 0.00 H new ATOM 0 HB3 ALA A 133 7.991 -0.425 -8.205 1.00 0.00 H new ATOM 422 N CYS A 134 9.284 2.011 -7.252 1.00 0.00 N ATOM 423 CA CYS A 134 9.023 3.417 -6.999 1.00 0.00 C ATOM 424 C CYS A 134 9.865 3.899 -5.817 1.00 0.00 C ATOM 425 O CYS A 134 9.962 5.099 -5.560 1.00 0.00 O ATOM 426 CB CYS A 134 7.536 3.635 -6.703 1.00 0.00 C ATOM 427 SG CYS A 134 6.968 2.879 -5.141 1.00 0.00 S ATOM 0 H CYS A 134 8.997 1.394 -6.492 1.00 0.00 H new ATOM 0 HA CYS A 134 9.292 3.989 -7.887 1.00 0.00 H new ATOM 0 HB2 CYS A 134 7.337 4.706 -6.669 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.949 3.227 -7.526 1.00 0.00 H new ATOM 432 N GLY A 135 10.463 2.948 -5.091 1.00 0.00 N ATOM 433 CA GLY A 135 11.274 3.290 -3.940 1.00 0.00 C ATOM 434 C GLY A 135 10.471 4.027 -2.895 1.00 0.00 C ATOM 435 O GLY A 135 10.689 5.217 -2.663 1.00 0.00 O ATOM 0 H GLY A 135 10.396 1.949 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 135 11.692 2.382 -3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 135 12.114 3.908 -4.257 1.00 0.00 H new ATOM 439 N ALA A 136 9.520 3.333 -2.276 1.00 0.00 N ATOM 440 CA ALA A 136 8.673 3.969 -1.265 1.00 0.00 C ATOM 441 C ALA A 136 8.735 3.229 0.065 1.00 0.00 C ATOM 442 O ALA A 136 8.620 2.005 0.109 1.00 0.00 O ATOM 443 CB ALA A 136 7.242 3.983 -1.779 1.00 0.00 C ATOM 0 H ALA A 136 9.317 2.349 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 136 9.032 4.984 -1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 136 6.594 4.453 -1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 136 7.196 4.545 -2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 136 6.909 2.960 -1.955 1.00 0.00 H new ATOM 449 N ILE A 137 8.817 3.979 1.161 1.00 0.00 N ATOM 450 CA ILE A 137 8.821 3.373 2.489 1.00 0.00 C ATOM 451 C ILE A 137 7.747 4.002 3.373 1.00 0.00 C ATOM 452 O ILE A 137 7.625 5.225 3.452 1.00 0.00 O ATOM 453 CB ILE A 137 10.194 3.583 3.156 1.00 0.00 C ATOM 454 CG1 ILE A 137 10.537 5.073 3.227 1.00 0.00 C ATOM 455 CG2 ILE A 137 11.272 2.821 2.399 1.00 0.00 C ATOM 456 CD1 ILE A 137 10.114 5.729 4.523 1.00 0.00 C ATOM 0 H ILE A 137 8.881 4.997 1.157 1.00 0.00 H new ATOM 0 HA ILE A 137 8.617 2.308 2.376 1.00 0.00 H new ATOM 0 HB ILE A 137 10.146 3.196 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 137 11.613 5.196 3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 137 10.057 5.588 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 137 12.236 2.979 2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 137 11.035 1.757 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 137 11.318 3.180 1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 137 10.388 6.784 4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 137 9.034 5.637 4.642 1.00 0.00 H new ATOM 0 HD13 ILE A 137 10.614 5.239 5.359 1.00 0.00 H new ATOM 468 N ARG A 138 7.023 3.153 4.096 1.00 0.00 N ATOM 469 CA ARG A 138 5.987 3.607 5.013 1.00 0.00 C ATOM 470 C ARG A 138 6.160 2.950 6.384 1.00 0.00 C ATOM 471 O ARG A 138 6.360 1.735 6.480 1.00 0.00 O ATOM 472 CB ARG A 138 4.623 3.215 4.441 1.00 0.00 C ATOM 473 CG ARG A 138 4.127 4.155 3.355 1.00 0.00 C ATOM 474 CD ARG A 138 3.180 3.449 2.399 1.00 0.00 C ATOM 475 NE ARG A 138 3.310 3.947 1.031 1.00 0.00 N ATOM 476 CZ ARG A 138 2.787 5.095 0.607 1.00 0.00 C ATOM 477 NH1 ARG A 138 2.101 5.868 1.440 1.00 0.00 N ATOM 478 NH2 ARG A 138 2.953 5.473 -0.653 1.00 0.00 N ATOM 0 H ARG A 138 7.137 2.140 4.063 1.00 0.00 H new ATOM 0 HA ARG A 138 6.060 4.688 5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 138 4.685 2.205 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 138 3.893 3.190 5.250 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.619 5.004 3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.977 4.553 2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 138 3.381 2.378 2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 138 2.153 3.586 2.739 1.00 0.00 H new ATOM 0 HE ARG A 138 3.832 3.381 0.362 1.00 0.00 H new ATOM 0 HH11 ARG A 138 1.972 5.583 2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 138 1.703 6.747 1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 138 3.481 4.884 -1.297 1.00 0.00 H new ATOM 0 HH22 ARG A 138 2.552 6.353 -0.979 1.00 0.00 H new ATOM 492 N PRO A 139 6.003 3.734 7.469 1.00 0.00 N ATOM 493 CA PRO A 139 6.091 3.235 8.834 1.00 0.00 C ATOM 494 C PRO A 139 4.729 2.825 9.388 1.00 0.00 C ATOM 495 O PRO A 139 3.728 3.504 9.159 1.00 0.00 O ATOM 496 CB PRO A 139 6.619 4.456 9.578 1.00 0.00 C ATOM 497 CG PRO A 139 6.003 5.622 8.870 1.00 0.00 C ATOM 498 CD PRO A 139 5.688 5.173 7.457 1.00 0.00 C ATOM 0 HA PRO A 139 6.710 2.342 8.922 1.00 0.00 H new ATOM 0 HB2 PRO A 139 6.333 4.434 10.630 1.00 0.00 H new ATOM 0 HB3 PRO A 139 7.708 4.501 9.544 1.00 0.00 H new ATOM 0 HG2 PRO A 139 5.097 5.948 9.381 1.00 0.00 H new ATOM 0 HG3 PRO A 139 6.686 6.471 8.861 1.00 0.00 H new ATOM 0 HD2 PRO A 139 4.643 5.352 7.204 1.00 0.00 H new ATOM 0 HD3 PRO A 139 6.290 5.709 6.723 1.00 0.00 H new ATOM 506 N ILE A 140 4.695 1.714 10.115 1.00 0.00 N ATOM 507 CA ILE A 140 3.453 1.222 10.698 1.00 0.00 C ATOM 508 C ILE A 140 3.727 0.307 11.888 1.00 0.00 C ATOM 509 O ILE A 140 4.624 -0.534 11.843 1.00 0.00 O ATOM 510 CB ILE A 140 2.606 0.461 9.657 1.00 0.00 C ATOM 511 CG1 ILE A 140 1.260 0.048 10.258 1.00 0.00 C ATOM 512 CG2 ILE A 140 3.360 -0.759 9.144 1.00 0.00 C ATOM 513 CD1 ILE A 140 0.098 0.212 9.302 1.00 0.00 C ATOM 0 H ILE A 140 5.513 1.138 10.314 1.00 0.00 H new ATOM 0 HA ILE A 140 2.895 2.095 11.039 1.00 0.00 H new ATOM 0 HB ILE A 140 2.416 1.127 8.815 1.00 0.00 H new ATOM 0 HG12 ILE A 140 1.316 -0.994 10.574 1.00 0.00 H new ATOM 0 HG13 ILE A 140 1.072 0.643 11.152 1.00 0.00 H new ATOM 0 HG21 ILE A 140 2.747 -1.284 8.411 1.00 0.00 H new ATOM 0 HG22 ILE A 140 4.292 -0.441 8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 140 3.581 -1.427 9.977 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -0.824 -0.099 9.793 1.00 0.00 H new ATOM 0 HD12 ILE A 140 0.016 1.258 9.005 1.00 0.00 H new ATOM 0 HD13 ILE A 140 0.264 -0.404 8.418 1.00 0.00 H new ATOM 525 N ARG A 141 2.947 0.476 12.951 1.00 0.00 N ATOM 526 CA ARG A 141 3.104 -0.334 14.153 1.00 0.00 C ATOM 527 C ARG A 141 1.751 -0.818 14.662 1.00 0.00 C ATOM 528 O ARG A 141 0.743 -0.122 14.532 1.00 0.00 O ATOM 529 CB ARG A 141 3.816 0.468 15.244 1.00 0.00 C ATOM 530 CG ARG A 141 3.117 1.772 15.595 1.00 0.00 C ATOM 531 CD ARG A 141 2.900 1.909 17.095 1.00 0.00 C ATOM 532 NE ARG A 141 1.528 2.299 17.415 1.00 0.00 N ATOM 533 CZ ARG A 141 1.052 3.532 17.261 1.00 0.00 C ATOM 534 NH1 ARG A 141 1.833 4.499 16.792 1.00 0.00 N ATOM 535 NH2 ARG A 141 -0.207 3.801 17.575 1.00 0.00 N ATOM 0 H ARG A 141 2.199 1.168 13.004 1.00 0.00 H new ATOM 0 HA ARG A 141 3.709 -1.204 13.899 1.00 0.00 H new ATOM 0 HB2 ARG A 141 3.895 -0.145 16.142 1.00 0.00 H new ATOM 0 HB3 ARG A 141 4.833 0.687 14.917 1.00 0.00 H new ATOM 0 HG2 ARG A 141 3.712 2.612 15.235 1.00 0.00 H new ATOM 0 HG3 ARG A 141 2.156 1.819 15.083 1.00 0.00 H new ATOM 0 HD2 ARG A 141 3.131 0.962 17.583 1.00 0.00 H new ATOM 0 HD3 ARG A 141 3.591 2.651 17.495 1.00 0.00 H new ATOM 0 HE ARG A 141 0.898 1.583 17.778 1.00 0.00 H new ATOM 0 HH11 ARG A 141 2.803 4.298 16.548 1.00 0.00 H new ATOM 0 HH12 ARG A 141 1.463 5.442 16.676 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.812 3.063 17.935 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -0.571 4.746 17.457 1.00 0.00 H new ATOM 549 N MET A 142 1.735 -2.013 15.241 1.00 0.00 N ATOM 550 CA MET A 142 0.504 -2.591 15.769 1.00 0.00 C ATOM 551 C MET A 142 -0.536 -2.755 14.665 1.00 0.00 C ATOM 552 O MET A 142 -0.294 -2.394 13.513 1.00 0.00 O ATOM 553 CB MET A 142 -0.058 -1.713 16.889 1.00 0.00 C ATOM 554 CG MET A 142 0.756 -1.770 18.171 1.00 0.00 C ATOM 555 SD MET A 142 -0.150 -1.136 19.597 1.00 0.00 S ATOM 556 CE MET A 142 -1.318 -2.465 19.874 1.00 0.00 C ATOM 0 H MET A 142 2.560 -2.601 15.357 1.00 0.00 H new ATOM 0 HA MET A 142 0.738 -3.576 16.173 1.00 0.00 H new ATOM 0 HB2 MET A 142 -0.103 -0.681 16.542 1.00 0.00 H new ATOM 0 HB3 MET A 142 -1.081 -2.022 17.104 1.00 0.00 H new ATOM 0 HG2 MET A 142 1.053 -2.801 18.363 1.00 0.00 H new ATOM 0 HG3 MET A 142 1.672 -1.193 18.041 1.00 0.00 H new ATOM 0 HE1 MET A 142 -1.725 -2.387 20.882 1.00 0.00 H new ATOM 0 HE2 MET A 142 -2.129 -2.394 19.149 1.00 0.00 H new ATOM 0 HE3 MET A 142 -0.812 -3.424 19.760 1.00 0.00 H new ATOM 566 N ILE A 143 -1.693 -3.300 15.025 1.00 0.00 N ATOM 567 CA ILE A 143 -2.769 -3.510 14.064 1.00 0.00 C ATOM 568 C ILE A 143 -4.064 -3.909 14.766 1.00 0.00 C ATOM 569 O ILE A 143 -4.100 -3.000 14.000 1.00 0.00 O ATOM 570 CB ILE A 143 -2.396 -4.595 13.031 1.00 0.00 C ATOM 571 CG1 ILE A 143 -3.496 -4.729 11.976 1.00 0.00 C ATOM 572 CG2 ILE A 143 -2.151 -5.928 13.723 1.00 0.00 C ATOM 573 CD1 ILE A 143 -3.064 -5.501 10.747 1.00 0.00 C ATOM 574 OXT ILE A 143 -4.000 -3.100 14.100 1.00 0.00 O ATOM 0 H ILE A 143 -1.909 -3.604 15.974 1.00 0.00 H new ATOM 0 HA ILE A 143 -2.920 -2.564 13.545 1.00 0.00 H new ATOM 0 HB ILE A 143 -1.475 -4.295 12.531 1.00 0.00 H new ATOM 0 HG12 ILE A 143 -4.358 -5.225 12.422 1.00 0.00 H new ATOM 0 HG13 ILE A 143 -3.822 -3.734 11.674 1.00 0.00 H new ATOM 0 HG21 ILE A 143 -1.889 -6.681 12.980 1.00 0.00 H new ATOM 0 HG22 ILE A 143 -1.334 -5.823 14.436 1.00 0.00 H new ATOM 0 HG23 ILE A 143 -3.054 -6.236 14.249 1.00 0.00 H new ATOM 0 HD11 ILE A 143 -3.893 -5.557 10.042 1.00 0.00 H new ATOM 0 HD12 ILE A 143 -2.221 -4.994 10.277 1.00 0.00 H new ATOM 0 HD13 ILE A 143 -2.766 -6.509 11.036 1.00 0.00 H new TER 586 ILE A 143 HETATM 587 ZN ZN A 144 5.637 1.028 -5.626 1.00 0.00 ZN